Basic information
- CAS
3785-28-2- Standard SMILES
CS(=O)(=O)c1ccc(CN(CCOC(=O)CBr)C(=O)C(Cl)Cl)cc1- InChIKey
NZOLBUNOTNPNKG-UHFFFAOYSA-N- Molecular formula
- C14H16BrCl2NO5S
- Average molar mass
- 461.2 g/mol
- Monoisotopic mass
- 458.93096
Names & identifiers
- Preferred name
- 2-((2,2-Dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl 2-bromoacetate
- IUPAC
- 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate
Names & synonyms
3785-28-2Acetic acid, bromo-, 2-((dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl esterDTXSID60191281RefChem:1060460DTXCID701137722-((2,2-Dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl 2-bromoacetate2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetateAcetic acid, 2-bromo-, 2-[(2,2-dichloroacetyl)[[4-(methylsulfonyl)phenyl]methyl]amino]ethyl esterM & B 6163BRN 27829012,2-Dichloro-N-(2-hydroxyethyl)-N-(p-(methylsulfonyl)benzyl)acetamide bromoacetate (ester)orb1986635
Show more names
AKOS040750082T295822-(2,2-Dichloro-N-{[4-(methanesulfonyl)phenyl]methyl}acetamido)ethyl bromoacetate
Database identifiers
- CAS
3785-28-2- PubChem CID
- 19617
- DTXSID
DTXSID60191281
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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